SCHEMBL5497618

SCHEMBL5497618

Oc1ccc2occc2c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
MAPK1 P28482 2/20 0.39
FTO Q9C0B1 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
NFKB1 P19838 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
ATM Q13315 1/20 0.36
ESR1 P03372 5/20 0.35
ESR2 Q92731 5/20 0.35
HTR2A P28223 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8799124 0.77 MAOA (0.40) CYP3A4MAPK1FTOMAOAMAOB
SCHEMBL14824860 0.74 HTR2A (0.38) FTOMAOAMAOBNFKB1KDM4E
SCHEMBL5501432 0.74 POLB (0.42) CYP3A4FTOMAOAMAOBNFKB1
SCHEMBL23918657 0.74 ALDH1A1 (0.39) CYP3A4FTOMAOAMAOBNFKB1
SCHEMBL2269866 0.74 KDM4E (0.47) CYP3A4MAPK1FTOMAOAMAOB
SCHEMBL4429415 0.72 PAX8 (0.48) CYP3A4FTOMAOAMAOBNFKB1
SCHEMBL2368215 0.70 CYP3A4 (0.55) CYP3A4MAPK1ALDH1A1HSD17B10TSHR
SCHEMBL2265534 0.69 KCNA3 (0.34) CYP3A4MAPK1FTOMAOAMAOB
SCHEMBL12533388 0.69 MAOA (0.34) FTOMAOAMAOBNFKB1HTR2A
SCHEMBL6194067 0.69 ERN1 (0.47) CYP3A4FTOMAOAMAOBNFKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791807-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS Pfizer Products Incorporated (US) 2007-06-06 EP disclosed
WO-2006027684-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS PFIZER PRODUCTS INC. (US) 2006-03-16 WO disclosed
US-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060058361-A1 Therapeutic diphenyl ether ligands HTR2B, HTR2C, HTR3B CYP3A4 46/4885MAPK1 3189/4885FTO 807/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.